N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide

C9H17N3O2 — CID 106096459

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CNC1
InChIInChI=1S/C9H17N3O2/c1-9(2,3-7(10)13)12-8(14)6-4-11-5-6/h6,11H,3-5H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyNURRYTUMFQUAAV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.02
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide (PubChem CID 106096459) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
PubChem CID106096459
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CNC1
InChIInChI=1S/C9H17N3O2/c1-9(2,3-7(10)13)12-8(14)6-4-11-5-6/h6,11H,3-5H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyNURRYTUMFQUAAV-UHFFFAOYSA-N
XLogP-1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
CID 106096831
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
CID 106096629
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
(1S,6R)-6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106095716
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114142783
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 64684705
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
CID 86789765

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide (CID 106096459) is N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide is CC(C)(CC(N)=O)NC(=O)C1CNC1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide?
The InChIKey is NURRYTUMFQUAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3-7(10)13)12-8(14)6-4-11-5-6/h6,11H,3-5H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 106096459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).